4-chloranyl-5-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzenesulfonic acid

Systemtic Name: 4-chloranyl-5-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzenesulfonic acid Openeye Name: 4-chloro-5-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzenesulfonic acid CAS Name: 4-chloro-5-methyl-2-[[oxo-[3-(trifluoromethyl)anilino]methyl]amino]benzenesulfonic acid IUPAC Name: 4-chloro-5-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzenesulfonic acid Traditional Name: 4-chloro-5-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]besylic acid Formula: C15H12ClF3N2O4S MolecularWeight: 408.77999

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)NC(=O)NC2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)NC(=O)NC2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)O

InChI

InChI=1S/C15H12ClF3N2O4S/c1-8-5-13(26(23,24)25)12(7-11(8)16)21-14(22)20-10-4-2-3-9(6-10)15(17,18)19/h2-7H,1H3,(H2,20,21,22)(H,23,24,25)